4WWI - JenaLib

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Biological Unit 2 (Jmol Viewer)

Biological Unit 3 (Jmol Viewer)

Title :   CRYSTAL STRUCTURE OF THE C DOMAIN OF STAPHYLOCOCCAL PROTEIN A IN COMPLEX WITH THE FC FRAGMENT OF HUMAN IGG AT 2.3 ANGSTROM RESOLUTION

Authors :   L. N. Deis, T. G. Oas

Date :   11 Nov 14 (Deposition) - 15 Jul 15 (Release) - 29 Jul 15 (Revision)

Method :   X-RAY DIFFRACTION

Resolution :   2.31

Chains :   Asym. Unit : A,B,C,D,E,F
Biol. Unit 1: A,D  (1x)
Biol. Unit 2: B,E  (1x)
Biol. Unit 3: C,F  (1x)

Keywords :   Three-Helix Bundle, Conformational Heterogeneity, S. Aureus, Antibody Binding, Protein Binding (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )

Reference :   L. N. Deis, Q. Wu, Y. Wang, Y. Qi, K. G. Daniels, P. Zhou, T. G. Oas
Suppression Of Conformational Heterogeneity At A Protein-Protein Interface.
Proc. Natl. Acad. Sci. Usa V. 112 9028 2015
PubMed-ID: 26157136 | Reference-DOI: 10.1073/PNAS.1424724112

Molecule 1 - IMMUNOGLOBULIN G-BINDING PROTEIN A
	Chains	:	A, B, C
	Engineered	:	YES
	Expression System	:	ESCHERICHIA COLI
	Expression System Plasmid	:	PAED4
	Expression System Strain	:	BL21
	Expression System Taxid	:	469008
	Expression System Vector Type	:	PLASMID
	Fragment	:	UNP RESIDUES 270-327
	Gene	:	SPA
	Organism Scientific	:	STAPHYLOCOCCUS AUREUS
	Organism Taxid	:	1280
	Synonym	:	IGG-BINDING PROTEIN A,STAPHYLOCOCCAL PROTEIN A

Molecule 2 - IG GAMMA-3 CHAIN C REGION
	Chains	:	D, E, F
	Engineered	:	YES
	Expression System	:	ESCHERICHIA COLI
	Expression System Strain	:	ORIGAMI ROSETTA
	Expression System Taxid	:	562
	Fragment	:	UNP RESIDUES 168-377
	Gene	:	IGHG3
	Organism Common	:	HUMAN
	Organism Scientific	:	HOMO SAPIENS
	Organism Taxid	:	9606
	Synonym	:	HDC,HEAVY CHAIN DISEASE PROTEIN

		1	2	3	4	5	6
Asymmetric Unit	:	A	B	C	D	E	F
Biological Unit 1 (1x)	:	A			D
Biological Unit 2 (1x)	:		B			E
Biological Unit 3 (1x)	:			C			F

Summary Information (see also Sequences/Alignments below)

(no "Ligand,Modified Residues,Ions" information available for 4WWI)

(no "Site" information available for 4WWI)

Asymmetric Unit

No.	Residues
1	D:261	-	D:321
2	F:261	-	F:321

Asymmetric Unit

No.	Residues
1	Tyr D:373	-	Pro D:374
2	Val E:264	-	Asp E:265
3	Tyr E:373	-	Pro E:374
4	Tyr F:373	-	Pro F:374

(no "SAP(SNP)/Variant" information available for 4WWI)

(no "PROSITE Motif" information available for 4WWI)

(no "Exon" information available for 4WWI)

Asymmetric Unit

Reformat:	Number of residues per line = ('0' or empty: single-line sequence representation)
	Number of residues per labelling interval =
	UniProt sequence: complete aligned part

Show mapping:	SCOP domains	CATH domains	Pfam domains	Secondary structure (by author)
	SAPs(SNPs)	PROSITE motifs	Exons
	(details for a mapped element are shown in a popup box when the mouse pointer rests over it)

Chain A from PDB  Type:PROTEIN  Length:57
                                                                                         
               SCOP domains --------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------- Pfam domains
         Sec.struct. author ....hhhhhhhhhhhhhh...hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------- Transcript
                 4wwi A   2 DNKFNKEQQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAPK  58
                                    11        21        31        41        51

Chain B from PDB  Type:PROTEIN  Length:56
                                                                                        
               SCOP domains -------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------- Pfam domains
         Sec.struct. author ...hhhhhhhhhhhhhh...hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------- Transcript
                 4wwi B   3 NKFNKEQQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAPK  58
                                    12        22        32        42        52

Chain C from PDB  Type:PROTEIN  Length:55
                                                                                       
               SCOP domains ------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhhhhhhhhh....hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------- Transcript
                 4wwi C   4 KFNKEQQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAPK  58
                                    13        23        33        43        53

Chain D from PDB  Type:PROTEIN  Length:201
                                                                                                                                                                                                                                         
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeee..hhhhhhh.....eeeeeee.........eeeeee..ee...eee......eeeeee.hhhhhhh...eeeeee.......eeeee..........eeeee..hhhhhhh.eeeeeeeeeee.....eeeeee..ee...eee...ee.....eeeeeeeeeehhhhhh...eeeeee...hhhhheeeee... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4wwi D 238 PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFKWYVDGVEVHNAKTKPREERVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESSGQPENNYNTTPPMLDSDGSFFLYSKLTVDKSRWQQGNIFSCSVMHEALHNHYTQKSLSLS 444
                                   247       257       267       277       287      |303       313       323       333       343       353       363       373       383       393       403       413       423       433       443 
                                                                                  294|                                                                                                                                               
                                                                                   301

Chain E from PDB  Type:PROTEIN  Length:179
                                                                                                                                                                                                                   
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eee..hhhhhhh.....eeeee.....eee...ee...ee....eeeee.hhhhhhh...eee....eee..........eeeee..hhhhh...eeeeeeeeeee.....eeeeee..eee..eee...ee.....eeeeeeeeeehhhhhh...eeeeee...hhhhheeeee... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4wwi E 240 VFLFPPKPKDTLMISRTPEVTCVVVDFKWYVDGVEVHNAKTKPRVVSVLTVLHQDWLNGKEYKCKVIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESSGQPENNYNTTPPMLDSDGSFFLYSKLTVDKSRWQQGNIFSCSVMHEALHNHYTQKSLSLS 444
                                   249       259     ||278       288   ||  307       317     ||335       345       355       365       375       385       395       405       415       425       435         
                                                   265|              292|                  323|                                                                                                                
                                                    275               302                   332

Chain F from PDB  Type:PROTEIN  Length:207
                                                                                                                                                                                                                                               
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeee..hhhhhhh.....eeeeeeeeee.....eeeeeee...ee...ee...ee....eeeeeeeee.hhhhhhh...eeeeeee.......eeee..........eeeee....hhhhh.eeeeeeeeeee.....eeeeee..eee..eee...ee.....eeeeeeeeeehhhhhh...eeeeee...hhhhheeeee... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4wwi F 238 PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFKWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESSGQPENNYNTTPPMLDSDGSFFLYSKLTVDKSRWQQGNIFSCSVMHEALHNHYTQKSLSLS 444
                                   247       257       267       277       287       297       307       317       327       337       347       357       367       377       387       397       407       417       427       437

Legend:		→ Mismatch	(orange background)
	-	→ Gap	(green background, '-', border residues have a numbering label)
		→ Modified Residue	(blue background, lower-case, 'x' indicates undefined single-letter code, labelled with number + name)
	x	→ Chemical Group	(purple background, 'x', labelled with number + name, e.g. ACE or NH2)
	extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '\|'

(no "SCOP Domain" information available for 4WWI)

(no "CATH Domain" information available for 4WWI)

(no "Pfam Domain" information available for 4WWI)

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	Ligands, Modified Residues, Ions
(no "Ligands, Modified Residues, Ions" information available for 4wwi)

	Sites
(no "Sites" information available for 4wwi)

	Cis Peptide Bonds
		Tyr D:373 - Pro D:374	[ RasMol ]
		Tyr E:373 - Pro E:374	[ RasMol ]
		Tyr F:373 - Pro F:374	[ RasMol ]
		Val E:264 - Asp E:265	[ RasMol ]

Biological Units
	Complete Structure
		Biological Unit 1	[ Jena3D ]
		Biological Unit 2	[ Jena3D ]
		Biological Unit 3	[ Jena3D ]

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		Orientation in Membranes	:	OPM
		Protein Surface	:	SURFACE
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Description

Compounds

Structural Features

Chains, Units

Ligands, Modified Residues, Ions (0, 0)

Sites (0, 0)

SS Bonds (2, 2)

Cis Peptide Bonds (4, 4)

Sequence-Structure Mapping

SAPs(SNPs)/Variants (0, 0)

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Exons (0, 0)

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Gene Ontology (25, 26)

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